Ethyl 3-(4-Aminophenyl)-3-oxopropanoate - CAS 61252-00-4

Catalog:	BB031017
Product Name:	Ethyl 3-(4-Aminophenyl)-3-oxopropanoate
CAS:	61252-00-4
Synonyms:	3-(4-aminophenyl)-3-oxopropanoic acid ethyl ester; ethyl 3-(4-aminophenyl)-3-oxopropanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 3-(4-aminophenyl)-3-oxopropanoate
Description:	Ethyl 3-(4-Aminophenyl)-3-oxopropanoate (CAS# 61252-00-4 ) is a useful research chemical.
Molecular Weight:	207.23
Molecular Formula:	C11H13NO3
Canonical SMILES:	CCOC(=O)CC(=O)C1=CC=C(C=C1)N
InChI:	InChI=1S/C11H13NO3/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7,12H2,1H3
InChI Key:	WZNJZROGRIBUEH-UHFFFAOYSA-N
Boiling Point:	357.7 °C at 760 mmHg
Density:	1.175 g/cm³
LogP:	1.98590

Publication Number	Title	Priority Date
EP-3247704-A1	Bifunctional compounds and use for reducing uric acid levels	20150122
JP-2018502896-A	Bifunctional compounds and uses to reduce uric acid levels	20150122
KR-20170103803-A	Bifunctional compounds and use for reducing uric acid levels	20150122
US-10093658-B2	Bifunctional compounds and use for reducing uric acid levels	20150122
US-2018002315-A1	Bifunctional Compounds and Use for Reducing Uric Acid Levels	20150122

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Complexity:	232
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.08954328
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	207.08954328
Rotatable Bond Count:	5
Topological Polar Surface Area:	69.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2